SCHEMBL20436123

SCHEMBL20436123

CCCNCC(O)COc1ccc(OCC(O)CNCCN)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 5/20 0.54
▸ ADRB2 P07550 4/20 0.54
▸ ADRB1 P08588 4/20 0.54
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ ATM Q13315 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20436115 0.93 ADRB3 (0.54) ADRB3ADRB2ADRB1CA12CA1
SCHEMBL18506359 0.92 ADRB3 (0.60) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL10836940 0.91 ATM (0.53) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL20436116 0.91 KDM4E (0.55) ADRB3ADRB2ADRB1CA12CA1
SCHEMBL11009261 0.90 PLA2G4B (0.54) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL20436132 0.89 KDM4E (0.53) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL10838546 0.88 ADRB3 (0.66) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL11488238 0.86 ADRB3 (0.51) ADRB3ADRB2ADRB1ATMCYP1A2
SCHEMBL17038023 0.86 ADRB3 (0.71) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL17038022 0.86 ADRB3 (0.71) ADRB3ADRB2ADRB1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215863-A1 AMINE FOR LOW-EMISSION EPOXY RESIN COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2018-08-02 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180215863-A1 AMINE FOR LOW-EMISSION EPOXY RESIN COMPOSITIONS EEF1A1, EEF1A2, EEF1E1 ADRB3 1748/4885ADRB2 711/4885ADRB1 652/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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